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Updated: Dec 15, 2025

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Published on: December 17, 2021
Off-lattice Monte Carlo simulations of irreversible and reversible aggregation processes
S Díez Orrite1, S Stoll1, P Schurtenberger2
1Department of Inorganic, Analytical and Applied Chemistry, Analytical and Biophysical Environmental Chemistry (CABE), University of Geneva, Sciences II, Quai Ernest-Ansermet 30, CH-1211 Geneva, Switzerland. silvia.diez@cabe.unige.ch serge.stoll@cabe.unige.ch.
This study uses Monte Carlo simulations to explore how colloidal particles form fractal aggregates. It examines how concentration and reversibility affect aggregate structure, stability, and fractal dimensions.
Area of Science:
- Colloid Science
- Materials Science
- Computational Physics
Background:
- Colloidal dispersions are ubiquitous in nature and industry.
- Understanding aggregate formation is crucial for controlling material properties.
Purpose of the Study:
- Investigate fractal aggregate formation in colloidal dispersions.
- Analyze the impact of particle concentration and interparticle interactions on aggregate structure and stability.
Main Methods:
- Utilized Monte Carlo simulations for modeling.
- Studied irreversible and reversible aggregation conditions.
- Analyzed aggregate size distribution, architecture, and fractal dimensions.
Main Results:
- Particle concentration significantly influences aggregate fractal dimensions.
- Transitions between aggregation, percolation, and homogeneous regimes were observed.
- Aggregate fragmentation and reorganization affect local structure and stability.
Conclusions:
- Monte Carlo simulations provide insight into complex colloidal aggregation processes.
- Reversibility, fragmentation, and reorganization are key factors in realistic colloidal systems.
- Findings aid in predicting and controlling colloidal aggregate behavior.
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